(4-bromanyl-2-fluoranyl-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C12H7BrFNO4S MolecularWeight: 360.155683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H7BrFNO4S/c13-8-2-1-7(9(14)5-8)6-19-12(16)10-3-4-11(20-10)15(17)18/h1-5H,6H2